6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene

C15H18O2 — CID 101436983

IUPAC6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene
SMILESCOc1cc2c(c(OC)c1)C1=CCCC1(C)C2
InChIInChI=1S/C15H18O2/c1-15-6-4-5-12(15)14-10(9-15)7-11(16-2)8-13(14)17-3/h5,7-8H,4,6,9H2,1-3H3
InChIKeyTZOADFLVEGKJPU-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.44
Rot. Bonds2

About 6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene

6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene (PubChem CID 101436983) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene.

Molecular Properties

Compound Name6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene
PubChem CID101436983
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene
SMILESCOc1cc2c(c(OC)c1)C1=CCCC1(C)C2
InChIInChI=1S/C15H18O2/c1-15-6-4-5-12(15)14-10(9-15)7-11(16-2)8-13(14)17-3/h5,7-8H,4,6,9H2,1-3H3
InChIKeyTZOADFLVEGKJPU-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene?
The IUPAC name of 6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene (CID 101436983) is 6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene.
What is the SMILES notation for 6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene?
The canonical SMILES for 6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene is COc1cc2c(c(OC)c1)C1=CCCC1(C)C2.
What is the InChIKey of 6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene?
The InChIKey is TZOADFLVEGKJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-15-6-4-5-12(15)14-10(9-15)7-11(16-2)8-13(14)17-3/h5,7-8H,4,6,9H2,1-3H3.
What are the key properties of 6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene?
6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene has a molecular weight of 230.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene is sourced from PubChem (CID 101436983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).